3CKY

Structural and Kinetic Properties of a beta-hydroxyacid dehydrogenase involved in nicotinate fermentation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-09-27
Detector	MARRESEARCH
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	82.978, 175.779, 83.709
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.470 - 2.300
R-factor	0.195
Rwork	0.194
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.063
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.849	41.850	2.420
High resolution limit [Å]	2.300	7.270	2.300
Rmerge	0.109	0.057	0.384
Total number of observations		8408	22272
Number of reflections	55151
<I/σ(I)>	5.2	8.8	2
Completeness [%]	94.1	97	77.2
Redundancy	4.6	4.5	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.5	291	19% PEG 8000, 0.1 M Sodium cacodylate, 0.1 M Ammonium sulfate, pH 5.5, VAPOR DIFFUSION, temperature 291K